Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenylate cyclase type 1' and Ligand = 'BDBM50052119'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenylate cyclase type 1 (Homo sapiens (Human))	BDBM50052119 ((3,3-Dimethyl-butyl)-carbamic acid (3R,4aR,5S,6S,6...) Show SMILES CC(C)(C)CCNC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C Show InChI InChI=1S/C27H45NO7/c1-10-24(7)15-17(30)27(33)25(8)16(29)11-12-23(5,6)19(25)18(20(31)26(27,9)35-24)34-21(32)28-14-13-22(2,3)4/h10,16,18-20,29,31,33H,1,11-15H2,2-9H3,(H,28,32)/t16-,18-,19-,20-,24-,25-,26+,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>150	n/a	n/a	n/a	n/a	n/a	n/a
Food and Drug Administration Curated by ChEMBL					Assay Description Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1				J Med Chem 39: 2745-52 (1996) Article DOI: 10.1021/jm960191+ BindingDB Entry DOI: 10.7270/Q2X34WJG
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Homo sapiens (Human))	BDBM50052119 ((3,3-Dimethyl-butyl)-carbamic acid (3R,4aR,5S,6S,6...) Show SMILES CC(C)(C)CCNC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C Show InChI InChI=1S/C27H45NO7/c1-10-24(7)15-17(30)27(33)25(8)16(29)11-12-23(5,6)19(25)18(20(31)26(27,9)35-24)34-21(32)28-14-13-22(2,3)4/h10,16,18-20,29,31,33H,1,11-15H2,2-9H3,(H,28,32)/t16-,18-,19-,20-,24-,25-,26+,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Food and Drug Administration Curated by ChEMBL					Assay Description Inhibition of [125 I]-6-IHPP-forskolin binding to adenylate cyclase 1				J Med Chem 39: 2745-52 (1996) Article DOI: 10.1021/jm960191+ BindingDB Entry DOI: 10.7270/Q2X34WJG
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Homo sapiens (Human))	BDBM50052119 ((3,3-Dimethyl-butyl)-carbamic acid (3R,4aR,5S,6S,6...) Show SMILES CC(C)(C)CCNC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C Show InChI InChI=1S/C27H45NO7/c1-10-24(7)15-17(30)27(33)25(8)16(29)11-12-23(5,6)19(25)18(20(31)26(27,9)35-24)34-21(32)28-14-13-22(2,3)4/h10,16,18-20,29,31,33H,1,11-15H2,2-9H3,(H,28,32)/t16-,18-,19-,20-,24-,25-,26+,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Food and Drug Administration Curated by ChEMBL					Assay Description Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1				J Med Chem 39: 2745-52 (1996) Article DOI: 10.1021/jm960191+ BindingDB Entry DOI: 10.7270/Q2X34WJG
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Homo sapiens (Human))	BDBM50052119 ((3,3-Dimethyl-butyl)-carbamic acid (3R,4aR,5S,6S,6...) Show SMILES CC(C)(C)CCNC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C Show InChI InChI=1S/C27H45NO7/c1-10-24(7)15-17(30)27(33)25(8)16(29)11-12-23(5,6)19(25)18(20(31)26(27,9)35-24)34-21(32)28-14-13-22(2,3)4/h10,16,18-20,29,31,33H,1,11-15H2,2-9H3,(H,28,32)/t16-,18-,19-,20-,24-,25-,26+,27-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Food and Drug Administration Curated by ChEMBL					Assay Description Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1				J Med Chem 39: 2745-52 (1996) Article DOI: 10.1021/jm960191+ BindingDB Entry DOI: 10.7270/Q2X34WJG
					More data for this Ligand-Target Pair